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maccs structural key fingerprints  (KNIME GmbH)

 
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    KNIME GmbH maccs structural key fingerprints
    Maccs Structural Key Fingerprints, supplied by KNIME GmbH, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
    https://www.bioz.com/product/maccs+structural+keys/pm36661071-125-26-38?v=KNIME+GmbH
    Average 90 stars, based on 1 article reviews
    maccs structural key fingerprints - by Bioz Stars, 2026-08
    90/100 stars

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    Statistical characteristics of multiclass QSAR models for eye irritation and eye corrosion.

    Journal: Artificial intelligence in the life sciences

    Article Title: Novel computational models offer alternatives to animal testing for assessing eye irritation and corrosion potential of chemicals

    doi: 10.1016/j.ailsci.2021.100028

    Figure Lengend Snippet: Statistical characteristics of multiclass QSAR models for eye irritation and eye corrosion.

    Article Snippet: MACCS structural keys [ ] are implemented in the RDKit module available in the KNIME platform, as well as Morgan fingerprints [ ].

    Techniques: Generated

    Statistical characteristics of binary QSAR models for eye irritation and eye corrosion assessed by 5-fold cross-validation.

    Journal: Artificial intelligence in the life sciences

    Article Title: Novel computational models offer alternatives to animal testing for assessing eye irritation and corrosion potential of chemicals

    doi: 10.1016/j.ailsci.2021.100028

    Figure Lengend Snippet: Statistical characteristics of binary QSAR models for eye irritation and eye corrosion assessed by 5-fold cross-validation.

    Article Snippet: MACCS structural keys [ ] are implemented in the RDKit module available in the KNIME platform, as well as Morgan fingerprints [ ].

    Techniques: Generated